U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.BrH
Molecular Weight 405.329
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE HYDROBROMIDE ANHYDROUS

SMILES

Br.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3

InChI

InChIKey=HDZGBIRSORQVNB-DSXUQNDKSA-N
InChI=1S/C20H24N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:09 UTC 2023
Edited
by admin
on Fri Dec 15 15:32:09 UTC 2023
Record UNII
VWF36Q4G6V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE HYDROBROMIDE ANHYDROUS
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, HYDROBROMIDE (1:1), (8.ALPHA.,9R)-
Common Name English
Quinine hydrobromide [WHO-DD]
Common Name English
QUININE HBR
Common Name English
QUININE HYDROBROMIDE
WHO-DD  
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, HBR (1:1), (8.ALPHA.,9R)-
Common Name English
QUININE, MONOHYDROBROMIDE
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, MONOHYDROBROMIDE, (8.ALPHA.,9R)-
Common Name English
QUININE, MONOHBR
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, MONOHBR, (8.ALPHA.,9R)-
Common Name English
ANHYDROUS QUININE HYDROBROMIDE
MART.  
Common Name English
ANHYDROUS QUININE HYDROBROMIDE [MART.]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 310.547
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID20203394
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
CAS
549-49-5
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
PUBCHEM
9822548
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL170
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
SMS_ID
100000078622
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
EVMPD
SUB15092MIG
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
FDA UNII
VWF36Q4G6V
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-967-2
Created by admin on Fri Dec 15 15:32:10 UTC 2023 , Edited by admin on Fri Dec 15 15:32:10 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY